General Information of the Compound
| Compound ID |
CP0349345
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| Compound Name |
US9242970, 262
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| Structure |
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| Formula |
C21H22F3NO5
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| Molecular Weight |
425.403
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| Canonical SMILES |
CO[C@@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC
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| InChI |
InChI=1S/C21H22F3NO5/c1-27-16-5-4-6-17(28-2)19(16)15-11-18(29-3)20(26)25(15)12-13-7-9-14(10-8-13)30-21(22,23)24/h4-10,15,18H,11-12H2,1-3H3/t15-,18+/m0/s1
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| InChIKey |
AMVUFSYRJVKFEF-MAUKXSAKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1